
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  147 ( 1260),  selected  127 , name one
# Molecule2: number of CA atoms  127 ( 1099),  selected  127 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    63      74_C - 138_C       4.93    21.40
  LCS_AVERAGE:     45.36

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40       2_C - 47_C        1.91    18.73
  LCS_AVERAGE:     19.20

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      89_C - 115_C       0.98    21.30
  LCS_AVERAGE:     13.16

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  127
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     P     2_B     P     2_C     25   40   57      4    4   29   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     I     3_B     I     3_C     25   40   57      4   17   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     Q     4_B     Q     4_C     25   40   57      8   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     E     5_B     E     5_C     25   40   57     12   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     E     6_B     E     6_C     25   40   57     12   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     I     7_B     I     7_C     25   40   57     12   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     Q     8_B     Q     8_C     25   40   57      9   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     K     9_B     K     9_C     25   40   57     12   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     K    10_B     K    10_C     25   40   57     11   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     V    11_B     V    11_C     25   40   57     11   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     R    12_B     R    12_C     25   40   57     12   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     E    13_B     E    13_C     25   40   57     12   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     L    14_B     L    14_C     25   40   57     12   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     L    15_B     L    15_C     25   40   57     12   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     E    16_B     E    16_C     25   40   57     12   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     K    17_B     K    17_C     25   40   57     12   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     L    18_B     L    18_C     25   40   57     10   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     I    19_B     I    19_C     25   40   57     12   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     E    20_B     E    20_C     25   40   57     12   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     Y    21_B     Y    21_C     25   40   57     10   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     L    22_B     L    22_C     25   40   57     10   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     E    23_B     E    23_C     25   40   57     11   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     E    24_B     E    24_C     25   40   57      8   26   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     L    25_B     L    25_C     25   40   57      8   25   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     K    26_B     K    26_C     25   40   57     10   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     E    27_B     E    27_C     24   40   57      3    3   13   22   36   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     K    34_B     K    34_C     23   40   57      3   12   24   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     E    35_B     E    35_C     23   40   57      9   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     K    36_B     K    36_C     23   40   57      7   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     L    37_B     L    37_C     23   40   57      6   26   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     E    38_B     E    38_C     23   40   57      7   26   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     E    39_B     E    39_C     23   40   57     11   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     V    40_B     V    40_C     23   40   57     10   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     I    41_B     I    41_C     23   40   57     11   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     E    42_B     E    42_C     23   40   57     11   27   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     G    43_B     G    43_C     11   40   57      7   26   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     L    44_B     L    44_C     11   40   57      5   22   34   36   37   38   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     E    45_B     E    45_C      9   40   57      5    6    9   25   32   37   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     R    46_B     R    46_C      9   40   57      5   13   19   26   28   35   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     L    47_B     L    47_C      9   40   57      5    6    9   12   18   25   30   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     K    48_B     K    48_C      9   28   57      5    8   17   26   28   35   39   40   42   45   47   49   51   52   55   56   59   62   63   64 
LCS_GDT     E    49_B     E    49_C      9   13   57      4    6   10   17   23   27   30   33   37   42   46   49   51   52   55   56   59   62   63   64 
LCS_GDT     E    50_B     E    50_C      9   13   57      4    6    9   11   15   19   24   31   34   40   43   47   51   52   55   56   59   62   63   64 
LCS_GDT     V    51_B     V    51_C      9   13   57      4    6    9   11   15   21   26   31   34   40   43   47   51   52   55   56   59   62   63   64 
LCS_GDT     D    52_B     D    52_C      4   12   57      3    3    4    9   14   19   25   31   34   40   43   47   51   52   54   56   59   62   63   64 
LCS_GDT     Q    55_B     Q    55_C      3   12   57      2    3    3    6   19   23   27   33   40   42   45   49   51   52   55   56   59   62   63   64 
LCS_GDT     L    56_B     L    56_C      3    8   57      3    3    3    6   18   28   34   39   42   42   45   49   51   52   55   56   59   62   63   64 
LCS_GDT     N    57_B     N    57_C      3    8   57      3    3   13   33   37   38   39   39   42   45   47   48   50   52   55   56   59   62   63   64 
LCS_GDT     M    58_B     M    58_C      5    8   57      3    4    6    7    8    8    8    9   24   37   42   44   47   50   55   56   59   61   63   64 
LCS_GDT     N    59_B     N    59_C      5    8   57      3    4    6    7    8    8   15   27   38   45   47   48   50   52   55   56   59   62   63   64 
LCS_GDT     L    60_B     L    60_C      5    8   57      3    4    6    7   15   28   35   39   42   45   47   49   50   52   55   56   59   62   63   64 
LCS_GDT     I    61_B     I    61_C      5    8   57      3    4    6    7    8    8    8   17   20   39   45   48   50   52   55   56   59   62   63   64 
LCS_GDT     V    62_B     V    62_C      5    8   57      3    4    6    7   14   22   29   37   41   45   47   48   50   52   55   56   59   62   63   64 
LCS_GDT     F    63_B     F    63_C      4    8   57      3    4    6    7    9   15   18   23   27   33   40   46   50   52   53   56   59   62   63   64 
LCS_GDT     E    64_B     E    64_C      3    8   57      3    3    4    5    8   13   18   26   33   37   41   46   50   52   53   54   57   60   63   64 
LCS_GDT     G    65_B     G    65_C      4    5   57      4    4    4    6   11   13   20   26   33   37   41   46   50   52   53   54   57   60   63   64 
LCS_GDT     L    66_B     L    66_C      4    5   57      4    4    4    5    6    9   11   16   21   26   31   37   41   47   51   53   53   57   62   65 
LCS_GDT     E    67_B     E    67_C      4    5   14      4    4    4    5    6   10   11   12   14   22   23   26   32   38   47   53   59   61   62   65 
LCS_GDT     V    68_B     V    68_C      4    5   14      4    4    4    5    5    6    9   13   16   20   24   31   37   39   47   54   59   61   62   65 
LCS_GDT     D    69_B     D    69_C      4    6   14      3    3    4    5    8    9   17   17   18   20   24   29   33   43   44   54   59   61   62   65 
LCS_GDT     E    70_B     E    70_C      4    6   14      3    3    4    5    8    9   17   17   18   20   21   24   26   28   29   34   44   55   60   63 
LCS_GDT     E    71_B     E    71_C      4    6   14      3    3    4    5    8    9   17   17   18   20   21   24   26   28   29   31   34   39   42   44 
LCS_GDT     G    72_B     G    72_C      4    6   14      0    3    4    4    8    9   17   17   18   20   21   24   26   28   29   32   34   39   42   46 
LCS_GDT     R    73_B     R    73_C      3    6   14      3    3    3    5    8   10   17   17   18   20   21   24   26   28   29   35   39   44   46   49 
LCS_GDT     V    74_B     V    74_C      3    6   63      3    3    4    5    7   10   17   17   18   20   23   26   32   43   49   57   59   61   62   65 
LCS_GDT     W    75_B     W    75_C      3    5   63      3    3    4    4    6   10   16   18   30   39   46   54   56   57   57   60   60   61   62   65 
LCS_GDT     F    76_B     F    76_C      3    5   63      1    3    4    4    5   10   15   20   32   40   47   54   56   57   57   60   60   61   63   65 
LCS_GDT     I    77_B     I    77_C      3    5   63      1    3    4    8   12   21   29   36   43   47   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     V    78_B     V    78_C      3    5   63      3    3    4    8   12   19   29   35   40   46   50   54   56   57   57   60   60   61   62   65 
LCS_GDT     K    79_B     K    79_C      3    4   63      3    3    4    6   12   18   26   33   37   42   47   49   55   57   57   60   60   61   62   65 
LCS_GDT     E    80_B     E    80_C      3    4   63      3    4    4   11   18   27   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     M    81_B     M    81_C      3    4   63      3    4    6   10   13   23   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     L    82_B     L    82_C      3    3   63      3    4    6   10   15   26   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     H    83_B     H    83_C      3    3   63      3    3    5   10   15   25   32   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     A    84_B     A    84_C      4    4   63      3    4    5    5    8   11   18   27   33   34   43   48   53   54   56   60   60   61   62   65 
LCS_GDT     T    85_B     T    85_C      4    4   63      3    4    4    4    9   11   15   18   24   29   35   38   42   47   51   55   58   61   62   63 
LCS_GDT     T    86_B     T    86_C      4    5   63      3    4    4    4    5    9   11   15   20   29   36   41   49   53   56   60   60   61   62   65 
LCS_GDT     E    87_B     E    87_C      4    5   63      1    4    4    9   13   16   18   21   31   33   42   46   49   53   56   60   60   61   62   65 
LCS_GDT     E    88_B     E    88_C      3   29   63      2    3    4    6   13   22   27   36   43   47   52   53   56   57   57   60   60   61   62   65 
LCS_GDT     E    89_B     E    89_C     27   29   63      2    3   25   27   28   29   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     A    90_B     A    90_C     27   29   63      6   16   26   27   28   28   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     L    91_B     L    91_C     27   29   63     14   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     E    92_B     E    92_C     27   29   63     14   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     N    93_B     N    93_C     27   29   63     14   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     M    94_B     M    94_C     27   29   63     14   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     D    95_B     D    95_C     27   29   63     14   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     K    96_B     K    96_C     27   29   63     14   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     F    97_B     F    97_C     27   29   63     14   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     L    98_B     L    98_C     27   29   63     14   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     E    99_B     E    99_C     27   29   63     14   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     S   100_B     S   100_C     27   29   63     14   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     W   101_B     W   101_C     27   29   63     14   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   61   63   65 
LCS_GDT     E   102_B     E   102_C     27   29   63     14   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   62   63   65 
LCS_GDT     K   103_B     K   103_C     27   29   63     14   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   62   63   65 
LCS_GDT     V   104_B     V   104_C     27   29   63     14   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   62   63   65 
LCS_GDT     F   105_B     F   105_C     27   29   63      9   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   62   63   65 
LCS_GDT     K   106_B     K   106_C     27   29   63      6   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   62   63   65 
LCS_GDT     E   107_B     E   107_C     27   29   63      6   13   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   62   63   65 
LCS_GDT     L   108_B     L   108_C     27   29   63      6   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   61   63   65 
LCS_GDT     L   109_B     L   109_C     27   29   63      6   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     E   110_B     E   110_C     27   29   63      6   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     Y   111_B     Y   111_C     27   29   63      6   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     H   112_B     H   112_C     27   29   63      6   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     F   113_B     F   113_C     27   29   63      6   16   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     E   114_B     E   114_C     27   29   63      6   22   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     H   115_B     H   115_C     27   29   63      3    9   26   27   28   29   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     N   116_B     N   116_C     17   29   63      3    8   15   25   28   29   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     S   119_B     S   119_C     17   20   63      3    4   12   18   20   22   32   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     P   120_B     P   120_C     17   20   63      5   15   17   18   20   21   27   36   44   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     T   121_B     T   121_C     17   20   63      5   15   17   18   20   27   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     F   122_B     F   122_C     17   20   63      5   15   17   18   25   29   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     D   123_B     D   123_C     17   20   63      6   15   17   18   20   21   27   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     F   124_B     F   124_C     17   20   63      6   15   17   18   20   27   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     F   125_B     F   125_C     17   20   63      6   15   17   18   24   29   33   38   46   51   52   54   56   57   57   60   60   62   63   65 
LCS_GDT     L   126_B     L   126_C     17   20   63      7   15   17   18   20   22   32   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     D   127_B     D   127_C     17   20   63      7   15   17   18   20   22   32   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     F   128_B     F   128_C     17   20   63      7   15   17   18   20   27   33   38   46   51   52   54   56   57   57   60   60   62   63   65 
LCS_GDT     L   129_B     L   129_C     17   20   63      7   15   17   18   25   29   33   38   46   51   52   54   56   57   57   60   60   62   63   65 
LCS_GDT     W   130_B     W   130_C     17   20   63      7   15   17   18   20   22   32   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     W   131_B     W   131_C     17   20   63      7   15   17   18   20   27   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     Q   132_B     Q   132_C     17   20   63      6   15   17   18   21   27   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     L   133_B     L   133_C     17   20   63      6   15   17   18   20   23   33   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     Y   134_B     Y   134_C     17   20   63      7   15   17   18   20   21   27   37   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     G   135_B     G   135_C     16   20   63      3   10   16   18   20   25   32   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     E   136_B     E   136_C     13   20   63      3    7   11   17   20   24   32   38   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     P   137_B     P   137_C      3   18   63      3    3    4    8   12   19   32   37   46   51   52   54   56   57   57   60   60   61   62   65 
LCS_GDT     M   138_B     M   138_C      3    3   63      3    3    3    3    4    4    7    8    9    9   26   32   39   48   54   58   60   61   62   63 
LCS_AVERAGE  LCS_A:  25.91  (  13.16   19.20   45.36 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     14     27     34     36     37     38     39     40     46     51     52     54     56     57     57     60     60     62     63     65 
GDT PERCENT_AT  11.02  21.26  26.77  28.35  29.13  29.92  30.71  31.50  36.22  40.16  40.94  42.52  44.09  44.88  44.88  47.24  47.24  48.82  49.61  51.18
GDT RMS_LOCAL    0.28   0.68   0.82   0.95   1.02   1.15   1.33   1.80   3.13   3.37   3.47   3.64   3.87   3.97   3.97   4.41   4.44   5.17   5.12   5.74
GDT RMS_ALL_AT  21.26  19.25  19.33  19.34  19.31  19.29  19.19  18.79  21.63  21.59  21.50  21.65  21.56  21.57  21.57  21.40  21.50  17.69  17.81  21.13

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_C
#   possible swapping detected:  E    13_B      E    13_C
#   possible swapping detected:  E    16_B      E    16_C
#   possible swapping detected:  E    20_B      E    20_C
#   possible swapping detected:  E    23_B      E    23_C
#   possible swapping detected:  E    27_B      E    27_C
#   possible swapping detected:  E    38_B      E    38_C
#   possible swapping detected:  E    45_B      E    45_C
#   possible swapping detected:  E    49_B      E    49_C
#   possible swapping detected:  E    50_B      E    50_C
#   possible swapping detected:  D    52_B      D    52_C
#   possible swapping detected:  F    63_B      F    63_C
#   possible swapping detected:  E    67_B      E    67_C
#   possible swapping detected:  F    76_B      F    76_C
#   possible swapping detected:  E    80_B      E    80_C
#   possible swapping detected:  E    92_B      E    92_C
#   possible swapping detected:  D    95_B      D    95_C
#   possible swapping detected:  E    99_B      E    99_C
#   possible swapping detected:  E   114_B      E   114_C
#   possible swapping detected:  F   128_B      F   128_C
#   possible swapping detected:  Y   134_B      Y   134_C
#   possible swapping detected:  E   136_B      E   136_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_B      P     2_C     2.257     0    0.575   0.859     4.301   75.238   60.748
LGA    I     3_B      I     3_C     1.324     0    0.081   0.607     2.974   81.429   75.238
LGA    Q     4_B      Q     4_C     1.475     0    0.065   1.290     5.661   81.429   65.344
LGA    E     5_B      E     5_C     1.143     0    0.054   0.886     3.540   81.429   68.307
LGA    E     6_B      E     6_C     0.959     0    0.035   0.112     1.415   88.214   85.450
LGA    I     7_B      I     7_C     0.637     0    0.028   1.207     3.318   90.476   77.143
LGA    Q     8_B      Q     8_C     0.867     0    0.049   1.060     3.999   90.476   80.317
LGA    K     9_B      K     9_C     0.948     0    0.052   0.958     4.087   90.476   77.725
LGA    K    10_B      K    10_C     1.059     0    0.069   0.679     2.976   83.690   71.640
LGA    V    11_B      V    11_C     0.710     0    0.106   0.136     1.217   95.238   91.905
LGA    R    12_B      R    12_C     0.330     0    0.116   1.111     6.056  100.000   69.567
LGA    E    13_B      E    13_C     0.531     0    0.095   0.742     3.006   95.238   82.222
LGA    L    14_B      L    14_C     0.566     0    0.071   0.061     1.318   95.238   89.464
LGA    L    15_B      L    15_C     0.327     0    0.062   1.401     3.806  100.000   81.964
LGA    E    16_B      E    16_C     0.385     0    0.069   0.193     0.842  100.000   95.767
LGA    K    17_B      K    17_C     0.331     0    0.066   1.322     6.919   97.619   74.815
LGA    L    18_B      L    18_C     0.890     0    0.057   0.186     1.907   88.214   82.679
LGA    I    19_B      I    19_C     0.781     0    0.056   0.722     1.833   90.476   87.143
LGA    E    20_B      E    20_C     0.712     0    0.066   0.178     0.883   90.476   93.651
LGA    Y    21_B      Y    21_C     0.998     0    0.036   0.953     7.891   85.952   52.897
LGA    L    22_B      L    22_C     0.912     0    0.026   0.165     1.366   90.476   87.083
LGA    E    23_B      E    23_C     0.764     0    0.021   0.139     1.575   85.952   82.487
LGA    E    24_B      E    24_C     1.828     0    0.040   1.138     7.472   75.000   49.153
LGA    L    25_B      L    25_C     1.787     0    0.160   0.144     3.106   79.405   68.333
LGA    K    26_B      K    26_C     0.972     0    0.616   0.591     2.010   81.786   80.688
LGA    E    27_B      E    27_C     3.335     0    0.594   1.101     9.347   40.000   27.937
LGA    K    34_B      K    34_C     2.799     0    0.302   0.728     3.969   62.857   54.233
LGA    E    35_B      E    35_C     1.401     0    0.069   1.214     4.756   79.286   61.640
LGA    K    36_B      K    36_C     1.373     0    0.005   1.004     3.964   81.429   70.106
LGA    L    37_B      L    37_C     1.580     0    0.047   0.863     3.264   72.857   70.000
LGA    E    38_B      E    38_C     1.500     0    0.089   0.155     2.159   81.548   74.021
LGA    E    39_B      E    39_C     0.613     0    0.075   0.812     3.583   88.214   78.995
LGA    V    40_B      V    40_C     0.753     0    0.052   0.050     0.761   90.476   90.476
LGA    I    41_B      I    41_C     0.667     0    0.179   1.125     2.834   83.810   76.607
LGA    E    42_B      E    42_C     0.973     0    0.294   0.258     3.973   81.548   66.614
LGA    G    43_B      G    43_C     1.089     0    0.325   0.325     2.260   79.524   79.524
LGA    L    44_B      L    44_C     1.585     0    0.107   0.690     5.386   81.786   62.976
LGA    E    45_B      E    45_C     3.431     0    0.073   0.975     7.886   45.357   32.222
LGA    R    46_B      R    46_C     5.663     0    0.045   1.376     9.064   20.714   11.688
LGA    L    47_B      L    47_C     6.361     0    0.077   1.008     7.421   17.619   17.024
LGA    K    48_B      K    48_C     4.930     0    0.097   1.086     9.019   20.833   21.852
LGA    E    49_B      E    49_C     9.145     0    0.192   0.612    11.726    2.857    1.429
LGA    E    50_B      E    50_C    11.465     0    0.179   0.923    15.923    0.000    0.000
LGA    V    51_B      V    51_C    10.330     0    0.101   0.133    11.096    0.000    0.816
LGA    D    52_B      D    52_C    11.289     0    0.182   0.291    13.628    0.000    0.060
LGA    Q    55_B      Q    55_C     9.101     0    0.612   1.059    12.194    5.595    3.016
LGA    L    56_B      L    56_C     6.416     0    0.148   1.060     8.271   23.929   14.940
LGA    N    57_B      N    57_C     3.077     0    0.461   0.719     4.819   42.500   44.940
LGA    M    58_B      M    58_C     8.443     0    0.303   1.276    13.457    6.071    3.036
LGA    N    59_B      N    59_C     8.099     0    0.119   0.237    11.224   10.476    6.012
LGA    L    60_B      L    60_C     6.824     0    0.405   1.485     8.806    7.024   15.952
LGA    I    61_B      I    61_C    12.042     0    0.245   0.244    17.350    0.119    0.060
LGA    V    62_B      V    62_C     9.562     0    0.322   1.055    11.436    0.119    1.837
LGA    F    63_B      F    63_C    13.145     0    0.330   1.332    20.743    0.000    0.000
LGA    E    64_B      E    64_C    11.550     0    0.236   1.210    17.146    0.000    0.000
LGA    G    65_B      G    65_C    11.655     0    0.625   0.625    12.292    0.000    0.000
LGA    L    66_B      L    66_C    15.638     0    0.122   1.185    19.075    0.000    0.000
LGA    E    67_B      E    67_C    21.248     0    0.512   1.179    22.666    0.000    0.000
LGA    V    68_B      V    68_C    24.567     0    0.085   1.057    29.144    0.000    0.000
LGA    D    69_B      D    69_C    23.181     0    0.545   0.710    23.995    0.000    0.000
LGA    E    70_B      E    70_C    26.880     0    0.071   1.281    28.408    0.000    0.000
LGA    E    71_B      E    71_C    24.607     0    0.181   0.873    25.324    0.000    0.000
LGA    G    72_B      G    72_C    22.025     0    0.564   0.564    22.754    0.000    0.000
LGA    R    73_B      R    73_C    17.361     0    0.603   1.471    18.839    0.000    0.000
LGA    V    74_B      V    74_C    16.972     0    0.114   0.167    17.805    0.000    0.000
LGA    W    75_B      W    75_C    14.424     0    0.322   0.710    23.926    0.000    0.000
LGA    F    76_B      F    76_C     7.494     0    0.455   1.348    10.138    3.929   10.000
LGA    I    77_B      I    77_C    12.116     0    0.604   0.770    17.292    0.000    0.000
LGA    V    78_B      V    78_C    13.076     0    0.607   0.622    15.467    0.000    0.000
LGA    K    79_B      K    79_C    13.222     0    0.159   0.859    17.037    0.000    0.000
LGA    E    80_B      E    80_C    16.867     0    0.550   1.458    20.888    0.000    0.000
LGA    M    81_B      M    81_C    20.445     0    0.629   0.916    24.379    0.000    0.000
LGA    L    82_B      L    82_C    22.889     0    0.567   0.613    25.086    0.000    0.000
LGA    H    83_B      H    83_C    25.414     0    0.575   1.479    29.368    0.000    0.000
LGA    A    84_B      A    84_C    29.433     0    0.596   0.606    32.871    0.000    0.000
LGA    T    85_B      T    85_C    35.830     0    0.067   1.154    38.397    0.000    0.000
LGA    T    86_B      T    86_C    37.637     0    0.434   1.155    37.799    0.000    0.000
LGA    E    87_B      E    87_C    39.244     0    0.605   1.175    42.316    0.000    0.000
LGA    E    88_B      E    88_C    40.829     0    0.559   1.385    44.620    0.000    0.000
LGA    E    89_B      E    89_C    40.928     0    0.499   0.908    47.576    0.000    0.000
LGA    A    90_B      A    90_C    36.088     0    0.075   0.084    38.315    0.000    0.000
LGA    L    91_B      L    91_C    34.664     0    0.101   0.833    38.296    0.000    0.000
LGA    E    92_B      E    92_C    33.848     0    0.081   0.951    41.047    0.000    0.000
LGA    N    93_B      N    93_C    29.665     0    0.055   0.921    34.044    0.000    0.000
LGA    M    94_B      M    94_C    25.283     0    0.074   1.201    27.355    0.000    0.000
LGA    D    95_B      D    95_C    24.982     0    0.087   1.190    30.234    0.000    0.000
LGA    K    96_B      K    96_C    23.721     0    0.048   1.221    29.777    0.000    0.000
LGA    F    97_B      F    97_C    19.246     0    0.093   1.260    21.320    0.000    0.000
LGA    L    98_B      L    98_C    16.023     0    0.037   1.413    19.217    0.000    0.000
LGA    E    99_B      E    99_C    15.571     0    0.070   1.001    22.334    0.000    0.000
LGA    S   100_B      S   100_C    14.911     0    0.056   0.707    18.894    0.000    0.000
LGA    W   101_B      W   101_C    10.400     0    0.041   1.144    12.082    1.071    0.646
LGA    E   102_B      E   102_C     8.421     0    0.041   1.034    12.027    3.929    2.063
LGA    K   103_B      K   103_C    10.154     0    0.078   1.099    14.868    0.357    0.159
LGA    V   104_B      V   104_C    12.071     0    0.152   0.183    15.243    0.000    0.000
LGA    F   105_B      F   105_C     9.686     0    0.182   1.339    12.181    0.238    5.801
LGA    K   106_B      K   106_C    10.886     0    0.080   1.046    14.467    0.119    3.492
LGA    E   107_B      E   107_C    15.357     0    0.116   1.028    18.569    0.000    0.000
LGA    L   108_B      L   108_C    16.515     0    0.041   0.889    19.681    0.000    0.000
LGA    L   109_B      L   109_C    17.838     0    0.083   1.179    21.768    0.000    0.000
LGA    E   110_B      E   110_C    20.558     0    0.052   1.027    25.051    0.000    0.000
LGA    Y   111_B      Y   111_C    24.920     0    0.041   0.067    33.028    0.000    0.000
LGA    H   112_B      H   112_C    26.513     0    0.083   1.104    30.577    0.000    0.000
LGA    F   113_B      F   113_C    28.943     0    0.084   0.945    33.042    0.000    0.000
LGA    E   114_B      E   114_C    32.322     0    0.132   0.314    36.811    0.000    0.000
LGA    H   115_B      H   115_C    36.094     0    0.095   1.176    39.683    0.000    0.000
LGA    N   116_B      N   116_C    37.372     0    0.431   0.432    38.345    0.000    0.000
LGA    S   119_B      S   119_C    35.953     0    0.251   0.336    36.380    0.000    0.000
LGA    P   120_B      P   120_C    33.114     0    0.150   0.771    36.488    0.000    0.000
LGA    T   121_B      T   121_C    26.978     0    0.077   1.038    29.611    0.000    0.000
LGA    F   122_B      F   122_C    23.253     0    0.041   1.453    25.325    0.000    0.000
LGA    D   123_B      D   123_C    26.075     0    0.053   1.356    29.580    0.000    0.000
LGA    F   124_B      F   124_C    24.313     0    0.090   1.446    25.468    0.000    0.000
LGA    F   125_B      F   125_C    17.076     0    0.021   0.166    19.919    0.000    1.039
LGA    L   126_B      L   126_C    18.968     0    0.032   1.381    20.678    0.000    0.000
LGA    D   127_B      D   127_C    24.052     0    0.078   1.109    28.985    0.000    0.000
LGA    F   128_B      F   128_C    19.143     0    0.069   1.259    20.673    0.000    0.000
LGA    L   129_B      L   129_C    15.699     0    0.086   0.206    17.925    0.000    0.000
LGA    W   130_B      W   130_C    22.408     0    0.081   1.603    33.622    0.000    0.000
LGA    W   131_B      W   131_C    23.592     0    0.082   1.155    27.883    0.000    0.000
LGA    Q   132_B      Q   132_C    18.477     0    0.177   0.723    20.277    0.000    0.000
LGA    L   133_B      L   133_C    21.560     0    0.046   1.152    25.788    0.000    0.000
LGA    Y   134_B      Y   134_C    28.398     0    0.150   1.391    33.210    0.000    0.000
LGA    G   135_B      G   135_C    27.726     0    0.327   0.327    30.484    0.000    0.000
LGA    E   136_B      E   136_C    31.180     0    0.558   1.133    37.933    0.000    0.000
LGA    P   137_B      P   137_C    27.257     0    0.085   0.542    29.746    0.000    0.000
LGA    M   138_B      M   138_C    27.586     0    0.706   1.109    28.049    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      127     508    508  100.00    1099   1099  100.00               127
SUMMARY(RMSD_GDC):    16.651         16.471                 17.195           26.379   23.173

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  147  127    4.0     40    1.80    32.087    29.859     2.106

LGA_LOCAL      RMSD:   1.800  Number of atoms:   40  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  18.795  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:  16.651  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.707557 * X  +  -0.269416 * Y  +   0.653283 * Z  +  23.913595
  Y_new =   0.666447 * X  +  -0.561807 * Y  +   0.490124 * Z  +  26.396925
  Z_new =   0.234971 * X  +   0.782169 * Y  +   0.577062 * Z  +  59.032032 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.386105 -0.237189  0.935168   [DEG:  136.7137  -13.5899   53.5812 ]
ZXZ:  2.214456  0.955670  0.291833   [DEG:  126.8790   54.7559   16.7208 ]
 
# END of job
